1-amino-2-methyl-3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol

C11H17N5O2S — CID 114355113

IUPAC1-amino-2-methyl-3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol
SMILESCC(O)(CN)Cc1nn2c(C3CCOC3)nnc2s1
InChIInChI=1S/C11H17N5O2S/c1-11(17,6-12)4-8-15-16-9(7-2-3-18-5-7)13-14-10(16)19-8/h7,17H,2-6,12H2,1H3
InChIKeyRFBIKTUCZNZQAX-UHFFFAOYSA-N
MW283.36 g/mol
LogP-0.06
Rot. Bonds4

About 1-amino-2-methyl-3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol

1-amino-2-methyl-3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol (PubChem CID 114355113) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-amino-2-methyl-3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol
PubChem CID114355113
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name1-amino-2-methyl-3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol
SMILESCC(O)(CN)Cc1nn2c(C3CCOC3)nnc2s1
InChIInChI=1S/C11H17N5O2S/c1-11(17,6-12)4-8-15-16-9(7-2-3-18-5-7)13-14-10(16)19-8/h7,17H,2-6,12H2,1H3
InChIKeyRFBIKTUCZNZQAX-UHFFFAOYSA-N
XLogP-0.06
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol?
The IUPAC name of 1-amino-2-methyl-3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol (CID 114355113) is 1-amino-2-methyl-3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol?
The canonical SMILES for 1-amino-2-methyl-3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol is CC(O)(CN)Cc1nn2c(C3CCOC3)nnc2s1.
What is the InChIKey of 1-amino-2-methyl-3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol?
The InChIKey is RFBIKTUCZNZQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-11(17,6-12)4-8-15-16-9(7-2-3-18-5-7)13-14-10(16)19-8/h7,17H,2-6,12H2,1H3.
What are the key properties of 1-amino-2-methyl-3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol?
1-amino-2-methyl-3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol has a molecular weight of 283.36 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol is sourced from PubChem (CID 114355113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).